⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL115012 | 1.00 | — | — | |
| SCHEMBL10709286 | 1.00 | — | — | |
| SCHEMBL1113346 | 1.00 | — | — | |
| SCHEMBL4273374 | 1.00 | — | — | |
| SCHEMBL1112133 | 1.00 | — | — | |
| SCHEMBL7942107 | 1.00 | — | — | |
| SCHEMBL7052544 | 1.00 | — | — | |
| SCHEMBL1112131 | 1.00 | — | — | |
| SCHEMBL1112376 | 1.00 | — | — | |
| SCHEMBL11531121 | 1.00 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6329562-B1 | TREATING THE REACTION MIXTURE WITH A FAUJASITE ZEOLITE TYPE IN LIQUID PHASE, ABSORBING CYCLOALKENES HAVING TWO DOUBLE BONDS PRESENT IN SOLUTION BY ZEOLITE, SEPARATING ZEOLITE, AND OBTAINING CYCLOALKENES BY DESORPTION | HAARMANN & REIMER GMBH (DE) | 2001-12-11 | — | — | US | disclosed |